Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10468668 | 0.93 | PIN1 (0.48) | ALDH1A1HTTXBP1PTGDR2MEN1 | |
| SCHEMBL10468835 | 0.84 | C5AR1 (0.46) | — | |
| SCHEMBL10469822 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HTTXBP1PTGDR2RAB9A | |
| SCHEMBL779699 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HTTXBP1PTGDR2MEN1 | |
| SCHEMBL31613080 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HTTXBP1PTGDR2RAB9A | |
| SCHEMBL10467839 | 0.76 | C5AR1 (0.48) | — | |
| SCHEMBL10467206 | 0.74 | HTR6 (0.42) | ALDH1A1HTTXBP1 | |
| SCHEMBL10468661 | 0.74 | PIN1 (0.47) | ALDH1A1HTTXBP1PTGDR2RAB9A | |
| SCHEMBL17615821 | 0.73 | ALDH1A1 (0.51) | ALDH1A1HTTXBP1MEN1KMT2A | |
| SCHEMBL769134 | 0.73 | KMT2A (0.51) | ALDH1A1HTTMEN1KMT2APIN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4957914-A | ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS | SYNTEX (U.S.A.) INC. (US) | 1990-09-18 | — | — | US | disclosed |